2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine

C14H12N2O3 — CID 91684021

IUPAC2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C14H12N2O3/c1-17-9-5-6-11(18-2)10(8-9)14-16-13-12(19-14)4-3-7-15-13/h3-8H,1-2H3
InChIKeyKJYSAYTUXKUATK-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.91
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine

2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 91684021) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID91684021
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C14H12N2O3/c1-17-9-5-6-11(18-2)10(8-9)14-16-13-12(19-14)4-3-7-15-13/h3-8H,1-2H3
InChIKeyKJYSAYTUXKUATK-UHFFFAOYSA-N
XLogP2.91
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methyl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
CID 89434382
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-oxazole
CID 56750354
2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 10286338
[5-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl] 2-methoxybenzenesulfonate
CID 83285585
2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 58285138
2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine
CID 82337417
2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 21450347
3-fluoro-4-methoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59679941
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 3161491
(3,5-dimethoxyphenyl) N-amino-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 143844907
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 91684021) is 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine is COc1ccc(OC)c(-c2nc3ncccc3o2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is KJYSAYTUXKUATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-17-9-5-6-11(18-2)10(8-9)14-16-13-12(19-14)4-3-7-15-13/h3-8H,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 256.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 91684021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).